Basic information
- CAS
109733-37-1- Standard SMILES
CC1=C[C@H]2[C@@H](C[C@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2(C)C- InChIKey
DLFSOUYCIDGKLT-VBNZEHGJSA-N- Molecular formula
- C18H20N2O6
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.13213636
Names & identifiers
- Preferred name
- [(1R,3R,6S)-4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl]methyl 3,5-dinitrobenzoate
- IUPAC
- [(1R,3R,6S)-4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl]methyl 3,5-dinitrobenzoate
Names & synonyms
DTXSID90911313109733-37-1[(1R,3R,6S)-4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-4-EN-3-YL]METHYL 3,5-DINITROBENZOATE
Database identifiers
- CAS
109733-37-1- PubChem CID
- 2247010
- DTXSID
DTXSID90911313
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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